Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 2/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3601907 | 0.81 | CA12 (0.45) | CTSKALDH1A1L3MBTL1CYP3A4CYP2C19 | |
| SCHEMBL8284888 | 0.81 | CA12 (0.45) | CTSKALDH1A1L3MBTL1CYP3A4CYP2C19 | |
| SCHEMBL3601905 | 0.81 | CA12 (0.45) | CTSKALDH1A1L3MBTL1CYP3A4CYP2C19 | |
| SCHEMBL3601906 | 0.81 | CA12 (0.45) | CTSKALDH1A1L3MBTL1CYP3A4CYP2C19 | |
| SCHEMBL3658399 | 0.79 | ITGB3 (0.53) | TDP1POLBCTSKALDH1A1TSHR | |
| SCHEMBL290981 | 0.76 | TDP1 (0.50) | TDP1POLBCTSKALDH1A1TSHR | |
| Water SCHEMBL2946569 | 0.75 | TDP1 (0.49) | TDP1POLBCTSKALDH1A1TSHR | |
| SCHEMBL5316226 | 0.75 | ITGB3 (0.46) | TDP1POLBCTSKALDH1A1TSHR | |
| SCHEMBL31392231 | 0.72 | POLB (0.51) | TDP1POLBCTSKALDH1A1TSHR | |
| SCHEMBL28123734 | 0.71 | MMP8 (0.58) | TDP1CTSKALDH1A1TSHRL3MBTL1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1740559-A4 | 1,3,5-SUBSTITUTED PHENYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO INC (US) | 2007-12-12 | — | — | EP | disclosed |
| EP-1740559-A1 | 1,3,5-SUBSTITUTED PHENYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | Merck & Co., Inc. (US) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005103020-A1 | 1,3,5-SUBSTITUTED PHENYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2005-11-03 | — | — | WO | disclosed |